摘 要：為了減小夾角余弦法或相關(guān)系數(shù)法在色譜指紋圖譜分析中的誤差，提出了峰面積權(quán)值非均一性進(jìn)行相似度計算的新方法。夾角余弦法或相關(guān)系數(shù)法在色譜指紋圖譜分析中存在一定的局限性，通過一個實例及折線圖可以看出此二方法與現(xiàn)實情況不相符，另則此二方法對濃度的變化不敏感，對計算結(jié)果帶來較大的誤差。夾角余弦法、相關(guān)系數(shù)法與數(shù)據(jù)線性比例沒有關(guān)系，化學(xué)成分比例不變，但其總量變化，則此二者難以體現(xiàn)這種變化；新的算法夠體現(xiàn)這種化學(xué)成分比例的變化，新方法適合于與總量有關(guān)的中藥與香精香料的質(zhì)量分析。
關(guān)鍵詞：香精香料；指紋圖譜；相似度；質(zhì)量控制；化學(xué)計量學(xué)
中圖分類號：O242.1；TP751 文獻(xiàn)標(biāo)識碼：A
文章編號：1672-4984（2008）03-0141-04
Research on calculation of similarity of fingerprint chromatogram
YANG Zhong-min1， Li Zhong-min1， ZHAO Yue-li1， DENG Lai-hong2， ZONG Zhao-qi1， ZHAO An3
（1.China Tobacco Shandong Industrial Corporation Technical Station of Tengzhou，Tengzhou 277500，China；
2.China Tobacco Shandong Industrial Corporation，Jinan 250013，China；
3.China Tobaceo Shandong Industrial Technical Station of Qingzhou，Qingzhou 262500，China）
Abstract： In order to reduce error of vectorial angle method or the correlation method in the chromatographic fingerprints analysis， a new method on calculation of similarity that assign the different weight according to different size of the peak area was proposed. Vectorial angle method or correlation method has certain limitation in the chromatographic fingerprints analysis. An example and fold line chart proved that they do not conform to the reality. Moreover， the two methods are insensitive to the thickness change and they brings large errors to the computed result. Vectorial angle method and correlation method do not have the relations with the data linearity. Chemical composition’s proportion does not change but its total quantity changes and they are very difficult to display these changes. The new method can do these and it suits in chromatographic fingerprints analysis of the traditional Chinese medicine and the essence spice.
Key words： Flavor and perfume； Chromatogram fingerprint； Similarity； Quality control； Chemic-metrology
Editor：liyan
